espressopp.interaction.SoftCosine

This class provides methods to compute forces and energies ofthe SoftCosine potential.

\[V(r) = A \left[ 1.0 + cos \left( \frac{\pi r}{r_c} \right) \right]\]
espressopp.interaction.SoftCosine(A, cutoff, shift)
Parameters:

  • A (real) – (default: 1.0)

  • cutoff – (default: infinity)

  • shift – (default: “auto”)

espressopp.interaction.VerletListSoftCosine(stor)
Parameters:

stor

espressopp.interaction.VerletListSoftCosine.setPotential(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.CellListSoftCosine(stor)
Parameters:

stor

espressopp.interaction.CellListSoftCosine.setPotential(type1, type2, potential)
Parameters:

  • type1

  • type2

  • potential

espressopp.interaction.FixedPairListSoftCosine(system, vl, potential)
Parameters:

  • system

  • vl

  • potential

espressopp.interaction.FixedPairListSoftCosine.setPotential(potential)
Parameters:

potential

class espressopp.interaction.SoftCosine.SoftCosine(*args, **kwds)

The SoftCosine potential.